SCHEMBL1542289

SCHEMBL1542289

O=C1c2cc3cn[nH]c3cc2COc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOB P27338 5/20 0.41
TRPA1 O75762 7/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29375440 0.73 MAPT (0.67) KMT2APKMTSHRMAPTRAB9A
SCHEMBL86392 0.73 MAPT (0.67) KMT2APKMTSHRMAPTRAB9A
SCHEMBL11697643 0.73 PKM (0.53) KMT2APKMTSHRMAPTRAB9A
SCHEMBL31123684 0.73 PKM (0.68) KMT2APKMTSHRMAPTRAB9A
SCHEMBL11660603 0.70 MAOB (0.55) KMT2APKMTSHRMAPTRAB9A
SCHEMBL11657699 0.69 PKM (0.45) KMT2APKMTSHRMAPTRAB9A
SCHEMBL4220086 0.69 MAPT (0.63) PKMTSHRMAPTRAB9AALDH1A1
SCHEMBL7246016 0.69 TDP1 (0.64) KMT2APKMTSHRMAPTRAB9A
SCHEMBL14559426 0.69 MAPK14 (0.60) PKMTSHRMAPTRAB9AALDH1A1
SCHEMBL1918267 0.69 MAPK14 (0.55) KMT2APKMTSHRMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN KMT2A 1484/4885PKM 3231/4885TSHR 175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.